SCHEMBL5329932

SCHEMBL5329932

COc1cc(F)cc(SC)c1C(=O)Cl

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 3/20 0.39
AR P10275 1/20 0.36
MAP2K1 Q02750 1/20 0.36
MEN1 O00255 4/20 0.35
KMT2A Q03164 4/20 0.35
POLB P06746 1/20 0.35
RAB9A P51151 3/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
NPC1 O15118 1/20 0.34
TSHR P16473 2/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
LMNA P02545 2/20 0.33
HSD17B10 Q99714 1/20 0.33
TP53 P04637 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
CYP3A4 P08684 2/20 0.33
MAPK1 P28482 2/20 0.33
USP2 O75604 1/20 0.33
HTT P42858 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1349845 0.85 CA12 (0.42) SLC6A9ARMAP2K1POLBRAB9A
SCHEMBL5329614 0.84 MAP2K1 (0.47) SLC6A9ARMAP2K1MEN1KMT2A
SCHEMBL842185 0.80 SLC6A9 (0.47) SLC6A9
SCHEMBL3019239 0.78 CYP3A4 (0.42) SLC6A9MAP2K1MEN1KMT2ARAB9A
SCHEMBL23327273 0.71 CYP3A4 (0.53) MAP2K1KMT2ARAB9ASMN1; SMN2ALDH1A1
SCHEMBL11540305 0.70 CYP3A4 (0.49) MEN1KMT2ASMN1; SMN2ALDH1A1MAPT
SCHEMBL18134157 0.70 LMNA (0.41) MEN1KMT2APOLBRAB9ASMN1; SMN2
SCHEMBL14992759 0.68 SMN1; SMN2 (0.46) MAP2K1MEN1KMT2APOLBRAB9A
SCHEMBL11519119 0.67 ERN1 (0.47) MEN1KMT2APOLBRAB9ASMN1; SMN2
SCHEMBL9713491 0.67 CYP3A4 (0.58) MEN1KMT2ASMN1; SMN2ALDH1A1MAPT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007147834-A1 GLYCINE TRANSPORTER INHIBITING COMPOUNDS AND USES IN MEDICINE GLAXO GROUP LIMITED (GB) 2007-12-27 WO disclosed